SCHEMBL16183443

SCHEMBL16183443

CCOc1cccc(-c2ccc3c(NC)nc(-c4cccnc4)nc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 3/20 0.58
CLK4 Q9HAZ1 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP2C9 P11712 1/20 0.58
S1PR1 P21453 1/20 0.54
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
GBA1 P04062 5/20 0.49
MAPT P10636 5/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
ABCB1 P08183 1/20 0.49
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
USP2 O75604 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14475191 0.92 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL16183448 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14727500 0.88 ABCG2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL16183439 0.87 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14358772 0.85 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL16184063 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14727795 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14474997 0.83 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14475000 0.83 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL14474102 0.82 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP3A4 4456/4885CYP2D6 4357/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.